SCHEMBL30987312

SCHEMBL30987312

CCCCC(CC)COC(=O)CCSc1ccc2nc[nH]c(=O)c2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ CA2 P00918 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ PARP1 P09874 1/20 0.31
▸ THRB P10828 2/20 0.31
▸ HRH4 Q9H3N8 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24878867 1.00 CYP3A4 (0.42) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL27457195 0.88 ALDH1A1 (0.31) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL27458233 0.86 ALDH1A1 (0.30) ALDH1A1MAPK1
SCHEMBL24879349 0.84 KDM4E (0.40) TDP1ALDH1A1LMNAHSD17B10PARP1
SCHEMBL31723337 0.83 CYP3A4 (0.42) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL27453451 0.80 TNF (0.41) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24878856 0.80 TNF (0.42) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24879034 0.80 CYP3A4 (0.38) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL30987348 0.79 TNF (0.39) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL24879127 0.79 TNF (0.39) CYP3A4TSHRTDP1ATMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 — — EP disclosed
WO-2024147703-A1 SHP2 INHIBITOR AND USES THEREOF 주식회사 카나프테라퓨틱스 2024-07-11 — — WO disclosed
Send feedback